4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol

C74H55ClN12O7 — CID 158143563

About 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol

4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol (PubChem CID 158143563) has the molecular formula C74H55ClN12O7 and a molecular weight of 1259.78 g/mol. Its IUPAC name is 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol.

Molecular Properties

• Compound Name: 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol
• PubChem CID: 158143563
• Molecular Formula: C74H55ClN12O7
• Molecular Weight: 1259.78 g/mol
• Exact Mass: 1258.40
• IUPAC Name: 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol
• SMILES: Oc1ccc(Cc2ncc3ncc(-c4ccc(O)cc4)cc3n2)cc1.Oc1ccc(Cc2ncc3ncc(-c4cccc(O)c4)cc3n2)cc1.Oc1ccc(Cc2ncc3ncc(-c4ccccc4O)cc3n2)cc1.Oc1ccc(Cc2ncc3ncc(Cl)cc3n2)cc1
• InChI: InChI=1S/3C20H15N3O2.C14H10ClN3O/c24-16-5-1-13(2-6-16)9-20-22-12-19-18(23-20)10-15(11-21-19)14-3-7-17(25)8-4-14;24-16-6-4-13(5-7-16)8-20-22-12-19-18(23-20)10-15(11-21-19)14-2-1-3-17(25)9-14;24-15-7-5-13(6-8-15)9-20-22-12-18-17(23-20)10-14(11-21-18)16-3-1-2-4-19(16)25;15-10-6-12-13(16-7-10)8-17-14(18-12)5-9-1-3-11(19)4-2-9/h1-8,10-12,24-25H,9H2;1-7,9-12,24-25H,8H2;1-8,10-12,24-25H,9H2;1-4,6-8,19H,5H2
• InChIKey: FUFWSEWDNFRAEQ-UHFFFAOYSA-N
• XLogP: 14.06
• TPSA: 296.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1259.78
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol?

The IUPAC name of 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol (CID 158143563) is 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol.

What is the SMILES notation for 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol?

The canonical SMILES for 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol is Oc1ccc(Cc2ncc3ncc(-c4ccc(O)cc4)cc3n2)cc1.Oc1ccc(Cc2ncc3ncc(-c4cccc(O)c4)cc3n2)cc1.Oc1ccc(Cc2ncc3ncc(-c4ccccc4O)cc3n2)cc1.Oc1ccc(Cc2ncc3ncc(Cl)cc3n2)cc1.

What is the InChIKey of 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol?

The InChIKey is FUFWSEWDNFRAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H15N3O2.C14H10ClN3O/c24-16-5-1-13(2-6-16)9-20-22-12-19-18(23-20)10-15(11-21-19)14-3-7-17(25)8-4-14;24-16-6-4-13(5-7-16)8-20-22-12-19-18(23-20)10-15(11-21-19)14-2-1-3-17(25)9-14;24-15-7-5-13(6-8-15)9-20-22-12-18-17(23-20)10-14(11-21-18)16-3-1-2-4-19(16)25;15-10-6-12-13(16-7-10)8-17-14(18-12)5-9-1-3-11(19)4-2-9/h1-8,10-12,24-25H,9H2;1-7,9-12,24-25H,8H2;1-8,10-12,24-25H,9H2;1-4,6-8,19H,5H2.

What are the key properties of 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol?

4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol has a molecular weight of 1259.78 g/mol, XLogP of 14.06, 11 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(7-chloropyrido[3,2-d]pyrimidin-2-yl)methyl]phenol;2-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;3-[2-[(4-hydroxyphenyl)methyl]pyrido[3,2-d]pyrimidin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)pyrido[3,2-d]pyrimidin-2-yl]methyl]phenol is sourced from PubChem (CID 158143563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).